N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide

C21H26F3N3O4 — CID 2016032

IUPACN-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C21H26F3N3O4/c1-13(2)31-16-11-9-14(10-12-16)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyAZTSYTGQLTXUKG-HXUWFJFHSA-N
MW441.45 g/mol
LogP3.74
Rot. Bonds5

About N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide

N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide (PubChem CID 2016032) has the molecular formula C21H26F3N3O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
PubChem CID2016032
Molecular FormulaC21H26F3N3O4
Molecular Weight441.45 g/mol
Exact Mass441.19
IUPAC NameN-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C21H26F3N3O4/c1-13(2)31-16-11-9-14(10-12-16)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1
InChIKeyAZTSYTGQLTXUKG-HXUWFJFHSA-N
XLogP3.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[(4R)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42578055
N-[(3S)-4-benzoyl-1-cycloheptyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-propan-2-yloxybenzamide
CID 2025856
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558546
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
methyl 4-[(4-tert-butylbenzoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 16764002
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 17388411
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
(4Z)-1-cyclohexyl-5-(4-fluorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108643065

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide (CID 2016032) is N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1.
What is the InChIKey of N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The InChIKey is AZTSYTGQLTXUKG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26F3N3O4/c1-13(2)31-16-11-9-14(10-12-16)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,25,28)(H,26,30)/t20-/m1/s1.
What are the key properties of N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide has a molecular weight of 441.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2016032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).